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Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)-

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Name

Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)-

EINECS N/A
CAS No. 103889-37-8 Density 1.427 g/cm3
PSA 0.00000 LogP 3.49790
Solubility N/A Melting Point N/A
Formula C7H3ClF4 Boiling Point 160.9 °C at 760 mmHg
Molecular Weight 198.547 Flash Point 55.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 103889-37-8 (2-CHLORO-6-FLUOROBENZOTRIFLUORIDE 98) Hazard Symbols IrritantXi
Synonyms

2-Chloro-6-fluorobenzotrifluoride;1-Chloro-3-fluoro-2-trifluoromethylbenzene;3-Chloro-1-fluoro-2-(trifluoromethyl)benzene;

 

Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)- Specification

The Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)-, with the CAS registry number 103889-37-8, is also known as 2-Chloro-6-fluorobenzotrifluoride. This chemical's molecular formula is C7H3ClF4 and molecular weight is 198.55. What's more, its systematic name is 1-Chloro-3-fluoro-2-(trifluoromethyl)benzene.

Physical properties of Benzene,1-chloro-3-fluoro-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.11; (6)ACD/BCF (pH 7.4): 148.11; (7)ACD/KOC (pH 5.5): 1245.39; (8)ACD/KOC (pH 7.4): 1245.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.432; (13)Molar Refractivity: 36.12 cm3; (14)Molar Volume: 139.1 cm3; (15)Polarizability: 14.31×10-24 cm3; (16)Surface Tension: 23.8 dyne/cm; (17)Density: 1.427 g/cm3; (18)Flash Point: 55.7 °C; (19)Enthalpy of Vaporization: 38.11 kJ/mol; (20)Boiling Point: 160.9 °C at 760 mmHg; (21)Vapour Pressure: 3.04 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. It may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(F)cccc1Cl
(2)InChI: InChI=1/C7H3ClF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
(3)InChIKey: ILUCOEVDXAZECW-UHFFFAOYAO

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